SCHEMBL3337632

SCHEMBL3337632

O=C(c1ccno1)N1CCC2CC1CN2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.48
CHRNB2 P17787 5/20 0.47
CHRNA3 P32297 5/20 0.47
CHRNA7 P36544 5/20 0.47
CHRNB4 P30926 4/20 0.47
CHRM2 P08172 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
GPR6 P46095 2/20 0.34
CSF1R P07333 1/20 0.34
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
GRM5 P41594 1/20 0.33
PARP1 P09874 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3337188 0.79 CHRNA7 (0.59) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4
SCHEMBL3332707 0.78 CHRNA4 (0.50) CHRNA4CHRNB2CHRNA3CHRNB3CHRNA6
SCHEMBL3340329 0.78 CHRNA4 (0.50) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4
SCHEMBL3330896 0.77 CHRNB2 (0.52) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4
SCHEMBL3340235 0.77 CHRNA4 (0.48) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4
SCHEMBL3335905 0.77 CHRNB2 (0.54) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4
SCHEMBL3338908 0.77 CHRNB2 (0.49) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4
SCHEMBL3337058 0.77 CHRNB2 (0.54) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4
SCHEMBL3332884 0.77 CHRNA4 (0.48) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4
SCHEMBL3334405 0.76 CHRNA4 (0.49) CHRNA4CHRNB2CHRNA3CHRNA7CHRNB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US claimed
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS CHRNA10, CHRNA2, CHRNE CHRNA4 8/4885CHRNB2 4/4885CHRNA3 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.